[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone

C21H27N3O3 — CID 171722697

IUPAC[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(C(=O)N2CCCC2)cc(C(=O)N2CCCC2)c1)N1CCCC1
InChIInChI=1S/C21H27N3O3/c25-19(22-7-1-2-8-22)16-13-17(20(26)23-9-3-4-10-23)15-18(14-16)21(27)24-11-5-6-12-24/h13-15H,1-12H2
InChIKeyMVFHNBNUGNZKFI-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.39
Rot. Bonds3

About [3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone

[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 171722697) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID171722697
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(C(=O)N2CCCC2)cc(C(=O)N2CCCC2)c1)N1CCCC1
InChIInChI=1S/C21H27N3O3/c25-19(22-7-1-2-8-22)16-13-17(20(26)23-9-3-4-10-23)15-18(14-16)21(27)24-11-5-6-12-24/h13-15H,1-12H2
InChIKeyMVFHNBNUGNZKFI-UHFFFAOYSA-N
XLogP2.39
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
CID 27654
5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride
CID 156548712
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
CID 70254735
CID 70254735
3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
CID 58738055
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
(4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone
CID 50849504
(3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane
CID 142986703
(4-hydroxy-3,5-dimethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 13410310

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone (CID 171722697) is [3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1cc(C(=O)N2CCCC2)cc(C(=O)N2CCCC2)c1)N1CCCC1.
What is the InChIKey of [3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is MVFHNBNUGNZKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-19(22-7-1-2-8-22)16-13-17(20(26)23-9-3-4-10-23)15-18(14-16)21(27)24-11-5-6-12-24/h13-15H,1-12H2.
What are the key properties of [3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 369.47 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 171722697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).